SCHEMBL4079039

SCHEMBL4079039

COC(=O)C12CC3CC(C1)C(N1CC(C)(c4ccc(F)c(Cl)c4)NC1=O)C(C3)C2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.43
HSD11B1 P28845 6/20 0.36
HSD11B2 P80365 2/20 0.33
ALDH1A1 P00352 1/20 0.32
ADAMTS5 Q9UNA0 2/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MMP2 P08253 1/20 0.31
MMP14 P50281 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4084557 0.92 SCN9A (0.39) SCN9AHSD11B1HSD11B2ALDH1A1
SCHEMBL75799 0.89 HSD11B1 (0.40) HSD11B1HSD11B2
SCHEMBL75902 0.87 HSD11B1 (0.39) SCN9AHSD11B1HSD11B2MAPK1NPSR1
SCHEMBL75991 0.85 HSD11B1 (0.41) HSD11B1
SCHEMBL4079305 0.84 TOP2A (0.39) SCN9AHSD11B1HSD11B2ALDH1A1
SCHEMBL4081955 0.84 DGAT1 (0.37) SCN9AHSD11B1HSD11B2
SCHEMBL4089235 0.82 SCN9A (0.39) SCN9AHSD11B1
SCHEMBL4083851 0.81 SCN9A (0.39) SCN9AHSD11B1HSD11B2
SCHEMBL4083612 0.81 SCN9A (0.39) SCN9AHSD11B1HSD11B2ALDH1A1NPSR1
SCHEMBL72961 0.81 HSD11B1 (0.43) HSD11B1HSD11B2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP disclosed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed